ChemSpider 2D Image | (S)-berlafenone | C19H25NO2

(S)-berlafenone

  • Molecular FormulaC19H25NO2
  • Average mass299.407 Da
  • Monoisotopic mass299.188538 Da
  • ChemSpider ID34984724

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-1-(2-Biphenylyloxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(2-Biphenylyloxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-(2-Biphénylyloxy)-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
(S)-berlafenone
2-Propanol, 1-([1,1'-biphenyl]-2-yloxy)-3-[(1,1-dimethylethyl)amino]-, (2S)- [ACD/Index Name]
18965-97-4 [RN]
Berlafenone [INN]
BERLAFENONE, (S)-
UNII-4MYE3XA3GV

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1410882G9D [DBID]
UNII:1410882G9D [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 458.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.9±25.9 °C
Index of Refraction: 1.548
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 17.06
Polar Surface Area: 41 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 284.5±3.0 cm3

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